REMARK Name = BDB049163 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.451 -0.476 -0.593 0.00 0.00 +0.158 C ENDROOT BRANCH 1 3 ATOM 2 CA LIG 1 -1.201 -2.636 -2.084 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -1.104 -1.927 -0.879 0.00 0.00 +0.016 A ATOM 4 C LIG 1 -0.564 -2.838 0.103 0.00 0.00 +0.006 A ATOM 5 C LIG 1 -0.289 -4.040 -0.542 0.00 0.00 +0.049 A ATOM 6 C LIG 1 0.270 -5.150 0.105 0.00 0.00 +0.046 A ATOM 7 C LIG 1 0.556 -5.024 1.465 0.00 0.00 +0.043 A ATOM 8 C LIG 1 0.291 -3.843 2.150 0.00 0.00 +0.021 A ATOM 9 CL LIG 1 1.249 -6.356 2.308 0.00 0.00 -0.083 Cl ATOM 10 C LIG 1 -0.271 -2.747 1.482 0.00 0.00 +0.012 A ATOM 11 N LIG 1 -0.660 -3.884 -1.850 0.00 0.00 -0.349 N ATOM 12 H LIG 1 -0.576 -4.591 -2.571 0.00 0.00 +0.166 HD BRANCH 2 14 ATOM 13 O LIG 1 -1.480 -3.091 -4.375 0.00 0.00 -0.243 OA ATOM 14 C LIG 1 -1.688 -2.352 -3.422 0.00 0.00 +0.354 C BRANCH 14 15 ATOM 15 OXT LIG 1 -2.462 -1.254 -3.530 0.00 0.00 -0.476 OA ATOM 16 HXT LIG 1 -2.579 -0.757 -2.688 0.00 0.00 +0.295 HD ENDBRANCH 14 15 ENDBRANCH 2 14 ENDBRANCH 1 3 BRANCH 1 17 ATOM 17 C LIG 1 -0.466 0.424 -1.276 0.00 0.00 +0.178 A ATOM 18 N LIG 1 0.807 0.737 -0.817 0.00 0.00 -0.195 N ATOM 19 N LIG 1 1.515 1.224 -1.863 0.00 0.00 -0.039 NA ATOM 20 N LIG 1 0.652 1.377 -2.853 0.00 0.00 -0.023 NA ATOM 21 N LIG 1 -0.575 0.891 -2.510 0.00 0.00 -0.111 NA BRANCH 18 22 ATOM 22 C LIG 1 1.397 0.663 0.468 0.00 0.00 +0.073 A ATOM 23 C LIG 1 2.785 0.486 0.566 0.00 0.00 +0.074 A ATOM 24 C LIG 1 3.390 0.415 1.823 0.00 0.00 +0.130 A ATOM 25 C LIG 1 2.620 0.511 2.982 0.00 0.00 +0.046 A ATOM 26 C LIG 1 1.248 0.735 2.887 0.00 0.00 +0.006 A ATOM 27 C LIG 1 0.636 0.820 1.633 0.00 0.00 +0.028 A BRANCH 24 28 ATOM 28 O LIG 1 4.735 0.176 1.986 0.00 0.00 -0.456 OA BRANCH 28 29 ATOM 29 C LIG 1 5.599 0.953 1.246 0.00 0.00 +0.128 A ATOM 30 C LIG 1 5.533 2.349 1.245 0.00 0.00 +0.046 A ATOM 31 C LIG 1 6.459 3.084 0.504 0.00 0.00 +0.004 A ATOM 32 C LIG 1 7.453 2.426 -0.222 0.00 0.00 +0.000 A ATOM 33 C LIG 1 7.527 1.033 -0.205 0.00 0.00 +0.004 A ATOM 34 C LIG 1 6.604 0.294 0.537 0.00 0.00 +0.046 A ENDBRANCH 28 29 ENDBRANCH 24 28 ENDBRANCH 18 22 ENDBRANCH 1 17 BRANCH 1 35 ATOM 35 N LIG 1 -2.842 -0.301 -1.073 0.00 0.00 -0.300 NA ATOM 36 H LIG 1 -3.422 -1.012 -0.616 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 -3.429 1.021 -0.779 0.00 0.00 +0.055 C ATOM 38 C LIG 1 -3.786 1.191 0.708 0.00 0.00 +0.019 C ATOM 39 C LIG 1 -4.505 2.515 0.964 0.00 0.00 +0.002 C ATOM 40 C LIG 1 -5.744 2.664 0.088 0.00 0.00 +0.000 C ATOM 41 C LIG 1 -5.407 2.489 -1.389 0.00 0.00 +0.002 C ATOM 42 C LIG 1 -4.691 1.164 -1.647 0.00 0.00 +0.019 C ENDBRANCH 35 37 ENDBRANCH 1 35 TORSDOF 9